N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

C18H26N2O3 — CID 113188241

IUPACN-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(c2ccccc2OC(C)C)C1
InChIInChI=1S/C18H26N2O3/c1-4-5-10-19-18(22)14-11-17(21)20(12-14)15-8-6-7-9-16(15)23-13(2)3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,19,22)
InChIKeySXPJGTLNGXFLOT-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.74
Rot. Bonds7

About N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide

N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 113188241) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID113188241
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESCCCCNC(=O)C1CC(=O)N(c2ccccc2OC(C)C)C1
InChIInChI=1S/C18H26N2O3/c1-4-5-10-19-18(22)14-11-17(21)20(12-14)15-8-6-7-9-16(15)23-13(2)3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,19,22)
InChIKeySXPJGTLNGXFLOT-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-oxo-1-(2-propan-2-yloxyphenyl)-N-prop-2-enylpyrrolidine-3-carboxamide
CID 113188240
N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188284
methyl 5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 168692995
N-cyclopentyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188245
N-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188517
1-(2-ethoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55407338
N-(4-methylphenyl)-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188305
5-oxo-1-(2-propan-2-yloxyphenyl)-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188343
N-(3-methoxypropyl)-5-oxo-1-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113190754
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
1-(2-ethoxyphenyl)-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188193
1-(2-ethoxyphenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 24553743

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 113188241) is N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is CCCCNC(=O)C1CC(=O)N(c2ccccc2OC(C)C)C1.
What is the InChIKey of N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is SXPJGTLNGXFLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-5-10-19-18(22)14-11-17(21)20(12-14)15-8-6-7-9-16(15)23-13(2)3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,19,22).
What are the key properties of N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide?
N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-oxo-1-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113188241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).